2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one

C8H7N3O2 — CID 135454212

IUPAC2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one
SMILESCc1c(O)nc2ncccn2c1=O
InChIInChI=1S/C8H7N3O2/c1-5-6(12)10-8-9-3-2-4-11(8)7(5)13/h2-4,12H,1H3
InChIKeyMIFKVOCGXFFEHB-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.10
Rot. Bonds

About 2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one

2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one (PubChem CID 135454212) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one
PubChem CID135454212
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one
SMILESCc1c(O)nc2ncccn2c1=O
InChIInChI=1S/C8H7N3O2/c1-5-6(12)10-8-9-3-2-4-11(8)7(5)13/h2-4,12H,1H3
InChIKeyMIFKVOCGXFFEHB-UHFFFAOYSA-N
XLogP0.10
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one (CID 135454212) is 2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one is Cc1c(O)nc2ncccn2c1=O.
What is the InChIKey of 2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is MIFKVOCGXFFEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-5-6(12)10-8-9-3-2-4-11(8)7(5)13/h2-4,12H,1H3.
What are the key properties of 2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one?
2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 177.16 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylpyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135454212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).